#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxh s PRO 3 N 0.00 2.63 0.11 1.61 0.02 -1.26 -5.01 135.00 133.11 3cxh s PRO 3 Ca 0.00 0.11 -0.34 0.00 0.02 0.00 0.00 61.00 60.79 3cxh s PRO 3 Cb 0.00 -2.13 -0.13 0.00 0.02 0.00 0.00 34.50 32.26 3cxh s PRO 3 CO 0.00 -1.03 1.64 -2.30 -0.33 0.00 0.00 177.00 174.97 3cxh n PRO 4 N -2.88 2.17 -3.22 5.54 -0.02 -1.26 -4.96 135.00 130.37 3cxh n PRO 4 Ca 0.06 0.78 -0.39 0.00 -2.02 0.00 0.00 63.50 61.94 3cxh n PRO 4 Cb 0.58 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 3cxh n PRO 4 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3cxh s SER 5 N 1.53 6.92 -0.21 2.55 0.15 -1.26 -5.04 113.70 118.35 3cxh s SER 5 Ca 0.81 1.10 -0.29 0.00 0.70 0.00 0.00 55.95 58.27 3cxh s SER 5 Cb -0.68 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.26 3cxh s SER 5 CO 0.40 0.07 1.49 -0.83 1.20 0.00 0.00 173.24 175.58 3cxh s GLY 6 N 0.00 1.36 0.25 9.45 0.00 -1.26 -4.97 107.32 112.16 3cxh s GLY 6 Ca 0.30 0.44 -0.30 0.00 0.00 0.00 0.00 44.72 45.16 3cxh s GLY 6 CO 0.16 2.83 1.42 0.54 0.00 0.00 0.00 173.10 178.04 3cxh s LYS 7 N 4.29 4.28 0.00 2.90 -0.14 -1.26 -5.04 119.74 124.78 3cxh s LYS 7 Ca 0.65 2.27 0.00 0.00 -1.36 0.00 0.00 55.97 57.54 3cxh s LYS 7 Cb -0.23 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 32.80 3cxh s LYS 7 CO 0.25 -0.39 0.00 0.25 -0.76 0.00 0.00 175.35 174.71 3cxh n THR 8 N 2.21 0.00 0.40 2.17 -2.24 -1.26 -5.04 114.28 110.52 3cxh n THR 8 Ca 0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 3cxh n THR 8 Cb 0.41 -0.11 0.26 0.00 -2.10 0.00 0.00 70.33 68.79 3cxh n THR 8 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3cxh n TYR 9 N -0.04 0.54 -4.29 4.78 4.02 -1.26 -4.87 117.16 116.03 3cxh n TYR 9 Ca 0.00 -0.27 -0.18 0.00 -0.01 0.00 0.00 57.90 57.44 3cxh n TYR 9 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.19 3cxh n TYR 9 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 3cxh s MET 10 N -1.46 0.76 0.00 -0.72 1.75 -1.26 -4.85 119.30 113.52 3cxh s MET 10 Ca 0.38 -0.59 0.00 0.00 -1.25 0.00 0.00 55.69 54.23 3cxh s MET 10 Cb 0.22 -0.72 0.00 0.00 2.84 0.00 0.00 34.83 37.17 3cxh s MET 10 CO 0.30 0.18 0.00 0.41 -0.65 0.00 0.00 175.02 175.26 3cxh n GLY 11 N 2.17 1.65 3.63 2.11 0.00 0.14 -4.95 105.19 109.95 3cxh n GLY 11 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 3cxh n GLY 11 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cxh s TRP 12 N 3.90 0.33 -0.30 1.61 -0.11 -1.13 -4.87 118.94 118.37 3cxh s TRP 12 Ca 0.00 -0.72 -0.41 0.00 1.22 0.00 0.00 56.10 56.20 3cxh s TRP 12 Cb 0.00 0.28 -0.16 0.00 -1.50 0.00 0.00 33.47 32.09 3cxh s TRP 12 CO 0.00 -1.08 1.75 0.91 -4.62 0.00 0.00 176.95 173.91 3cxh n TRP 13 N -0.42 2.04 0.00 5.86 7.02 -1.26 -0.66 117.44 130.02 3cxh n TRP 13 Ca -0.02 0.57 0.00 0.00 -1.02 0.00 0.00 57.50 57.03 3cxh n TRP 13 Cb 0.61 -2.45 0.00 0.00 -2.42 0.00 0.00 31.31 27.05 3cxh n TRP 13 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3cxh n GLY 14 N 4.24 2.58 2.60 6.99 0.00 -1.26 -4.85 105.19 115.49 3cxh n GLY 14 Ca 0.27 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 3cxh n GLY 14 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3cxh n HIS 15 N -0.69 -1.84 0.29 1.61 1.44 0.16 -5.00 115.22 111.19 3cxh n HIS 15 Ca 0.00 -2.51 0.16 0.00 -2.01 0.00 0.00 57.72 53.36 3cxh n HIS 15 Cb 0.00 1.04 0.88 0.00 0.12 0.00 0.00 29.99 32.03 3cxh n HIS 15 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 3cxh h MET 16 N 2.82 0.00 0.00 -1.40 4.05 -1.69 -2.99 114.93 115.72 3cxh h MET 16 Ca -0.09 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3cxh h MET 16 Cb 1.11 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 3cxh h MET 16 CO 0.20 0.05 0.00 0.41 0.23 0.00 0.00 176.91 177.80 3cxh n GLY 17 N -0.94 0.87 3.98 1.39 0.00 -1.26 -0.69 105.19 108.55 3cxh n GLY 17 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 3cxh n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cxh s GLY 18 N -1.66 1.76 0.68 -0.02 0.00 -1.26 -4.97 107.32 101.86 3cxh s GLY 18 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 44.72 43.01 3cxh s GLY 18 CO 0.00 -1.03 1.06 2.56 0.00 0.00 0.00 173.10 175.69 3cxh s PRO 19 N -5.23 3.04 0.12 2.90 0.04 -1.26 -4.97 135.00 129.65 3cxh s PRO 19 Ca 0.67 0.93 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 3cxh s PRO 19 Cb -0.06 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 3cxh s PRO 19 CO 0.45 -1.02 1.66 0.15 0.04 0.00 0.00 177.00 178.28 3cxh s LYS 20 N -5.06 4.19 -0.20 4.56 1.02 -1.26 -4.99 119.74 118.00 3cxh s LYS 20 Ca 0.58 2.41 -0.09 0.00 0.02 0.00 0.00 55.97 58.88 3cxh s LYS 20 Cb -0.14 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 3cxh s LYS 20 CO 0.55 -0.71 0.10 -0.65 -0.92 0.00 0.00 175.35 173.72 3cxh s GLN 21 N 1.99 4.05 -0.16 1.68 -0.21 -1.26 -5.08 119.66 120.67 3cxh s GLN 21 Ca 0.74 -0.29 -0.17 0.00 0.02 0.00 0.00 55.36 55.66 3cxh s GLN 21 Cb -0.43 -3.35 0.04 0.00 1.00 0.00 0.00 33.01 30.27 3cxh s GLN 21 CO 0.32 0.22 0.46 0.21 -2.12 0.00 0.00 175.29 174.39 3cxh s LYS 22 N 0.55 0.57 0.00 2.91 2.20 -1.26 -4.91 119.74 119.80 3cxh s LYS 22 Ca 0.06 0.58 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 3cxh s LYS 22 Cb -0.12 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 3cxh s LYS 22 CO 0.00 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 3cxh n GLY 23 N 2.65 1.10 3.71 5.54 0.00 -1.26 -5.04 105.19 111.90 3cxh n GLY 23 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3cxh n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cxh s ILE 24 N -2.60 5.12 -0.04 -0.61 1.01 -1.26 -5.09 121.20 117.73 3cxh s ILE 24 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.78 3cxh s ILE 24 Cb 0.00 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 3cxh s ILE 24 CO 0.00 0.49 -0.19 -0.89 0.00 0.00 0.00 174.94 174.35 3cxh s THR 25 N 0.07 1.57 0.13 2.92 2.01 -1.26 -5.14 115.64 115.94 3cxh s THR 25 Ca 0.07 -0.80 0.10 0.00 0.31 0.00 0.00 61.69 61.37 3cxh s THR 25 Cb -0.12 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3cxh s THR 25 CO -0.00 0.45 -0.22 -0.94 -0.69 0.00 0.00 174.62 173.22 3cxh s SER 26 N -0.08 3.63 0.02 3.53 1.04 -1.26 -5.14 113.70 115.44 3cxh s SER 26 Ca -0.02 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 55.77 3cxh s SER 26 Cb -0.11 -0.40 -0.01 0.00 0.10 0.00 0.00 66.02 65.60 3cxh s SER 26 CO 0.02 0.17 -0.07 -0.31 0.98 0.00 0.00 173.24 174.04 3cxh s TYR 27 N -1.15 0.58 0.06 5.02 1.51 -1.26 -5.16 117.35 116.96 3cxh s TYR 27 Ca 0.17 -0.29 -0.15 0.00 -1.01 0.00 0.00 57.07 55.78 3cxh s TYR 27 Cb -0.10 -0.36 0.02 0.00 -0.11 0.00 0.00 41.96 41.41 3cxh s TYR 27 CO 0.08 -0.04 0.33 0.00 -1.11 0.00 0.00 175.55 174.81 3cxh s ALA 28 N -0.75 -0.76 0.04 3.71 0.00 -1.26 -5.16 121.76 117.58 3cxh s ALA 28 Ca -0.04 0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.04 3cxh s ALA 28 Cb -0.06 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3cxh s ALA 28 CO 0.00 -0.46 -0.26 0.08 0.00 0.00 0.00 175.76 175.12 3cxh s VAL 29 N -2.77 2.15 0.41 0.00 1.01 -1.26 -5.11 120.40 114.83 3cxh s VAL 29 Ca -0.03 -1.37 -0.27 0.00 0.00 0.00 0.00 61.98 60.30 3cxh s VAL 29 Cb -0.00 -1.83 -0.10 0.00 0.00 0.00 0.00 36.38 34.45 3cxh s VAL 29 CO -0.05 0.38 1.47 -0.24 0.00 0.00 0.00 175.10 176.66 3cxh n SER 30 N 1.81 3.64 0.26 3.32 2.88 -1.26 -4.88 113.62 119.39 3cxh n SER 30 Ca -0.17 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.68 3cxh n SER 30 Cb 0.52 -1.62 0.73 0.00 -0.75 0.00 0.00 64.21 63.09 3cxh n SER 30 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3cxh h PRO 31 N 2.70 0.00 0.00 -1.46 0.11 -1.99 -2.00 132.00 129.36 3cxh h PRO 31 Ca -0.51 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3cxh h PRO 31 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3cxh h PRO 31 CO 0.63 0.10 -0.18 1.88 -0.21 0.00 0.00 178.00 180.22 3cxh h TYR 32 N 0.00 0.00 -0.72 0.65 -1.99 -2.01 -2.82 116.97 110.08 3cxh h TYR 32 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3cxh h TYR 32 Cb 0.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.98 3cxh h TYR 32 CO 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 178.16 178.34 3cxh n ALA 33 N -2.23 2.41 -2.92 3.88 0.00 -0.75 -4.97 120.51 115.93 3cxh n ALA 33 Ca -0.00 -1.32 -0.23 0.00 0.00 0.00 0.00 53.44 51.88 3cxh n ALA 33 Cb 0.36 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 3cxh n ALA 33 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3cxh s GLN 34 N -1.05 3.29 -0.02 0.00 -0.21 -1.07 -4.99 119.66 115.60 3cxh s GLN 34 Ca 0.49 -0.77 -0.34 0.00 0.02 0.00 0.00 55.36 54.76 3cxh s GLN 34 Cb 0.26 -2.83 -0.12 0.00 1.00 0.00 0.00 33.01 31.32 3cxh s GLN 34 CO 0.32 0.46 1.82 1.17 -2.12 0.00 0.00 175.29 176.95 3cxh n LYS 35 N -0.96 2.23 0.00 2.91 4.81 -1.26 -4.72 118.16 121.18 3cxh n LYS 35 Ca -0.08 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 3cxh n LYS 35 Cb 0.56 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.95 3cxh n LYS 35 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3cxh n PRO 36 N 5.97 0.00 -0.82 1.64 -0.04 -1.26 -4.43 135.00 136.06 3cxh n PRO 36 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 3cxh n PRO 36 Cb 0.30 -0.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 3cxh n PRO 36 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3cxh n LEU 37 N 1.78 0.00 -1.06 1.53 4.77 -1.26 -4.70 117.00 118.06 3cxh n LEU 37 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 3cxh n LEU 37 Cb 0.00 -0.47 0.21 0.00 -2.33 0.00 0.00 43.42 40.83 3cxh n LEU 37 CO 0.06 0.00 0.64 0.00 -1.33 0.00 0.00 177.39 176.75 3cxh n GLN 38 N -0.82 2.65 -2.10 3.23 10.64 -1.26 -4.21 117.38 125.52 3cxh n GLN 38 Ca 0.00 -1.70 -0.30 0.00 -1.83 0.00 0.00 57.00 53.17 3cxh n GLN 38 Cb 0.00 -1.65 0.02 0.00 -0.86 0.00 0.00 30.24 27.76 3cxh n GLN 38 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3cxh n GLY 39 N 0.77 5.98 0.08 2.61 0.00 -1.26 -4.63 105.19 108.74 3cxh n GLY 39 Ca 0.15 -2.62 -0.10 0.00 0.00 0.00 0.00 46.02 43.46 3cxh n GLY 39 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3cxh h ILE 40 N 2.15 1.05 -2.58 -0.61 2.04 -1.98 -3.43 117.51 114.15 3cxh h ILE 40 Ca 0.42 -2.85 -0.55 0.00 1.00 0.00 0.00 64.86 62.88 3cxh h ILE 40 Cb 0.85 2.55 -0.04 0.00 -0.74 0.00 0.00 36.82 39.44 3cxh h ILE 40 CO 1.06 0.64 -0.50 -0.36 0.00 0.00 0.00 178.15 178.99 3cxh s PHE 41 N -2.62 3.37 0.00 1.37 0.40 -1.26 -3.47 117.98 115.76 3cxh s PHE 41 Ca -0.05 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 3cxh s PHE 41 Cb 0.08 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 42.01 3cxh s PHE 41 CO 0.82 0.51 0.00 1.58 0.70 0.00 0.00 175.22 178.84 3cxh n HIS 42 N -0.53 0.00 -0.00 0.36 -0.00 -1.26 -4.56 115.22 109.23 3cxh n HIS 42 Ca -0.08 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.89 3cxh n HIS 42 Cb 0.54 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.28 3cxh n HIS 42 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 3cxh h ASN 43 N 0.00 0.37 -0.27 0.26 4.21 -1.82 -3.44 115.58 114.89 3cxh h ASN 43 Ca 0.00 -0.85 -0.22 0.00 1.21 0.00 0.00 56.30 56.44 3cxh h ASN 43 Cb 0.00 -0.12 -0.29 0.00 -1.12 0.00 0.00 38.32 36.79 3cxh h ASN 43 CO 0.00 1.71 -0.75 0.00 -1.29 0.00 0.00 177.43 177.10 3cxh n ALA 44 N -3.03 2.70 0.06 -0.83 0.00 -1.24 -4.91 120.51 113.25 3cxh n ALA 44 Ca -0.29 -2.00 -0.15 0.00 0.00 0.00 0.00 53.44 51.01 3cxh n ALA 44 Cb 0.94 -0.87 -0.14 0.00 0.00 0.00 0.00 19.45 19.39 3cxh n ALA 44 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3cxh h VAL 45 N 4.63 1.25 0.00 0.00 3.04 -1.84 -3.28 116.25 120.05 3cxh h VAL 45 Ca -0.27 -2.90 0.00 0.00 -1.01 0.00 0.00 66.70 62.52 3cxh h VAL 45 Cb 1.28 2.77 0.00 0.00 -2.01 0.00 0.00 31.29 33.33 3cxh h VAL 45 CO 0.04 0.82 0.00 2.19 -1.01 0.00 0.00 177.57 179.61 3cxh h PHE 46 N 0.06 0.00 0.00 3.17 -5.15 -1.92 -3.15 116.94 109.95 3cxh h PHE 46 Ca -0.20 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.56 3cxh h PHE 46 Cb 1.98 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 38.15 3cxh h PHE 46 CO 0.05 0.00 -0.02 -0.91 -2.00 0.00 0.00 178.31 175.43 3cxh h ASN 47 N 0.00 0.00 -2.48 -0.68 4.21 -1.92 -3.43 115.58 111.28 3cxh h ASN 47 Ca 0.00 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.32 3cxh h ASN 47 Cb 0.72 0.00 0.09 0.00 -1.12 0.00 0.00 38.32 38.01 3cxh h ASN 47 CO 0.00 0.02 0.09 -0.24 -1.29 0.00 0.00 177.43 176.01 3cxh n SER 48 N -3.28 -1.18 0.00 5.81 2.88 -1.19 -3.77 113.62 112.89 3cxh n SER 48 Ca -0.02 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.62 3cxh n SER 48 Cb 0.15 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 3cxh n SER 48 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3cxh n PHE 49 N -3.45 0.00 -0.15 0.66 3.01 -1.26 -4.49 117.46 111.78 3cxh n PHE 49 Ca 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.53 3cxh n PHE 49 Cb 0.27 0.00 0.24 0.00 -0.01 0.00 0.00 39.48 39.99 3cxh n PHE 49 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3cxh h ARG 50 N 0.00 0.85 0.01 -1.08 9.65 -1.83 -1.71 114.38 120.27 3cxh h ARG 50 Ca 0.00 -0.11 -0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3cxh h ARG 50 Cb 0.00 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 3cxh h ARG 50 CO 0.00 0.66 -0.00 -0.09 2.80 0.00 0.00 179.97 183.34 3cxh h ARG 51 N 0.85 -0.01 -1.56 0.20 9.65 -1.79 -3.18 114.38 118.55 3cxh h ARG 51 Ca 0.21 0.00 -0.51 0.00 -1.10 0.00 0.00 59.98 58.58 3cxh h ARG 51 Cb 0.09 0.00 -0.20 0.00 -1.39 0.00 0.00 29.97 28.47 3cxh h ARG 51 CO -0.03 0.32 0.61 1.19 2.80 0.00 0.00 179.97 184.87 3cxh n PHE 52 N -4.94 2.18 0.00 2.20 3.72 -0.95 -3.07 117.46 116.60 3cxh n PHE 52 Ca -0.08 -2.29 0.00 0.00 -0.05 0.00 0.00 57.45 55.03 3cxh n PHE 52 Cb 0.18 -1.22 0.00 0.00 -0.94 0.00 0.00 39.48 37.50 3cxh n PHE 52 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3cxh n LYS 53 N 0.03 2.95 0.02 -1.08 4.81 -0.69 -4.34 118.16 119.87 3cxh n LYS 53 Ca 0.46 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 58.01 3cxh n LYS 53 Cb 0.55 -0.33 -0.05 0.00 0.02 0.00 0.00 35.03 35.22 3cxh n LYS 53 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3cxh n SER 54 N -0.26 0.52 -0.02 3.14 7.64 -1.18 -4.55 113.62 118.91 3cxh n SER 54 Ca 0.00 -0.16 -0.01 0.00 1.01 0.00 0.00 58.87 59.70 3cxh n SER 54 Cb 0.00 1.11 -0.04 0.00 -1.01 0.00 0.00 64.21 64.27 3cxh n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cxh n GLN 55 N -2.09 2.53 -0.47 1.43 1.13 -1.25 -4.80 117.38 113.86 3cxh n GLN 55 Ca 0.00 -0.01 0.40 0.00 -1.94 0.00 0.00 57.00 55.45 3cxh n GLN 55 Cb 0.48 -1.12 0.72 0.00 0.11 0.00 0.00 30.24 30.43 3cxh n GLN 55 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3cxh h PHE 56 N 0.00 0.22 0.00 1.08 -5.15 -1.80 -0.19 116.94 111.11 3cxh h PHE 56 Ca -0.09 0.01 -0.11 0.00 -0.20 0.00 0.00 57.97 57.58 3cxh h PHE 56 Cb 1.03 -0.06 -0.02 0.00 0.22 0.00 0.00 35.95 37.12 3cxh h PHE 56 CO 0.00 -0.05 -0.50 -0.07 -2.00 0.00 0.00 178.31 175.69 3cxh h LEU 57 N 0.07 0.00 -0.70 2.10 3.38 -1.89 0.39 115.31 118.67 3cxh h LEU 57 Ca 0.75 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.64 3cxh h LEU 57 Cb 2.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.45 3cxh h LEU 57 CO -0.16 0.50 -0.39 1.88 0.09 0.00 0.00 178.44 180.37 3cxh h TYR 58 N 0.00 0.00 0.00 1.13 -1.99 -1.37 -2.88 116.97 111.86 3cxh h TYR 58 Ca -0.01 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.44 3cxh h TYR 58 Cb 1.00 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.69 3cxh h TYR 58 CO 0.00 0.39 -1.71 0.28 -0.00 0.00 0.00 178.16 177.12 3cxh n VAL 59 N -3.42 1.52 -0.13 -2.88 0.31 -1.14 -4.43 118.33 108.16 3cxh n VAL 59 Ca 0.00 -0.14 -0.06 0.00 -0.01 0.00 0.00 64.34 64.14 3cxh n VAL 59 Cb 0.56 -2.05 0.03 0.00 -0.91 0.00 0.00 33.84 31.47 3cxh n VAL 59 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3cxh h LEU 60 N -1.00 0.30 0.05 7.52 -0.00 -0.33 -0.76 115.31 121.10 3cxh h LEU 60 Ca -0.42 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.48 3cxh h LEU 60 Cb 1.32 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 3cxh h LEU 60 CO -0.26 0.22 -0.03 0.40 -0.00 0.00 0.00 178.44 178.78 3cxh h ILE 61 N 0.42 0.98 -0.54 1.22 2.04 -1.70 0.69 117.51 120.62 3cxh h ILE 61 Ca 0.18 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 3cxh h ILE 61 Cb 0.09 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3cxh h ILE 61 CO -0.13 0.03 0.15 -0.65 0.00 0.00 0.00 178.15 177.55 3cxh h PRO 62 N -0.13 0.82 -0.55 2.37 0.11 -1.75 0.56 132.00 133.43 3cxh h PRO 62 Ca -0.01 -0.16 -0.09 0.00 0.11 0.00 0.00 66.00 65.85 3cxh h PRO 62 Cb 0.11 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3cxh h PRO 62 CO 0.01 0.73 -0.02 0.00 -0.21 0.00 0.00 178.00 178.50 3cxh h ALA 63 N 1.37 0.91 -0.30 -0.75 0.00 -0.87 -0.15 119.26 119.48 3cxh h ALA 63 Ca 0.18 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3cxh h ALA 63 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3cxh h ALA 63 CO -0.00 0.64 -0.13 0.78 0.00 0.00 0.00 179.25 180.54 3cxh h GLY 64 N 0.99 0.67 0.79 0.00 0.00 0.11 0.18 103.07 105.81 3cxh h GLY 64 Ca 0.16 -0.59 0.04 0.00 0.00 0.00 0.00 47.33 46.94 3cxh h GLY 64 CO 0.03 0.54 0.39 -2.22 0.00 0.00 0.00 176.54 175.28 3cxh h ILE 65 N 0.37 1.03 0.00 2.60 2.04 0.44 -2.21 117.51 121.78 3cxh h ILE 65 Ca 0.07 -0.26 -0.19 0.00 1.00 0.00 0.00 64.86 65.48 3cxh h ILE 65 Cb 0.64 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3cxh h ILE 65 CO 0.04 0.14 -0.86 1.88 0.00 0.00 0.00 178.15 179.35 3cxh h TYR 66 N 0.75 0.15 -0.31 1.37 -1.99 -0.92 -2.85 116.97 113.18 3cxh h TYR 66 Ca 0.28 -0.09 -0.05 0.00 2.00 0.00 0.00 58.73 60.88 3cxh h TYR 66 Cb 0.09 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 3cxh h TYR 66 CO -0.06 0.91 0.00 2.35 -0.00 0.00 0.00 178.16 181.36 3cxh h TRP 67 N 0.05 0.59 -0.09 4.88 7.01 -0.30 -2.31 115.95 125.79 3cxh h TRP 67 Ca -0.03 -0.10 -0.12 0.00 2.11 0.00 0.00 58.89 60.75 3cxh h TRP 67 Cb 1.50 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 28.39 3cxh h TRP 67 CO 0.02 0.67 -0.49 1.88 -2.79 0.00 0.00 178.44 177.73 3cxh h TYR 68 N 0.34 0.26 -0.63 2.65 -1.99 -1.48 -0.27 116.97 115.85 3cxh h TYR 68 Ca 0.09 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 3cxh h TYR 68 Cb 0.43 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 39.08 3cxh h TYR 68 CO 0.04 0.66 0.22 2.35 -0.00 0.00 0.00 178.16 181.43 3cxh h TRP 69 N 0.17 0.99 -0.04 4.88 7.01 -1.41 0.10 115.95 127.65 3cxh h TRP 69 Ca 0.01 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 3cxh h TRP 69 Cb 0.92 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 27.69 3cxh h TRP 69 CO 0.02 0.80 -0.02 2.35 -2.79 0.00 0.00 178.44 178.80 3cxh h TRP 70 N 0.90 0.10 -0.88 2.65 2.91 -1.14 -2.11 115.95 118.38 3cxh h TRP 70 Ca 0.21 -0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.21 3cxh h TRP 70 Cb 0.25 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.84 3cxh h TRP 70 CO 0.02 0.47 0.58 -0.22 -1.03 0.00 0.00 178.44 178.26 3cxh h LYS 71 N -0.30 1.15 -0.44 2.65 3.11 -0.91 0.09 116.57 121.92 3cxh h LYS 71 Ca 0.01 -0.07 -0.09 0.00 -2.81 0.00 0.00 60.65 57.69 3cxh h LYS 71 Cb 0.44 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 3cxh h LYS 71 CO 0.01 0.76 -0.09 -0.97 -2.81 0.00 0.00 179.45 176.34 3cxh h ASN 72 N 1.18 0.84 0.42 4.20 -0.73 -0.76 -2.46 115.58 118.27 3cxh h ASN 72 Ca 0.33 -0.36 -0.17 0.00 1.87 0.00 0.00 56.30 57.97 3cxh h ASN 72 Cb -0.12 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.23 3cxh h ASN 72 CO -0.07 1.00 -0.71 1.23 -0.37 0.00 0.00 177.43 178.50 3cxh h GLY 73 N 0.66 0.27 1.27 1.57 0.00 -0.92 -2.89 103.07 103.03 3cxh h GLY 73 Ca 0.11 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 3cxh h GLY 73 CO 0.04 0.34 -0.22 -0.57 0.00 0.00 0.00 176.54 176.13 3cxh h ASN 74 N 0.17 0.85 -0.25 0.19 -1.24 -0.92 -2.16 115.58 112.22 3cxh h ASN 74 Ca -0.02 -0.31 -0.15 0.00 0.71 0.00 0.00 56.30 56.52 3cxh h ASN 74 Cb 1.27 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 40.07 3cxh h ASN 74 CO 0.11 1.04 -0.41 -0.33 -1.29 0.00 0.00 177.43 176.56 3cxh h GLU 75 N 0.73 0.80 -0.80 6.67 5.08 -1.47 -2.27 114.58 123.32 3cxh h GLU 75 Ca 0.10 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 3cxh h GLU 75 Cb 0.75 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 3cxh h GLU 75 CO 0.06 1.06 0.35 -0.92 -1.00 0.00 0.00 179.01 178.56 3cxh h TYR 76 N 0.65 1.19 -0.55 4.33 3.20 -1.40 -1.46 116.97 122.94 3cxh h TYR 76 Ca 0.05 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 3cxh h TYR 76 Cb 0.97 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3cxh h TYR 76 CO 0.05 0.88 0.25 -0.97 -1.64 0.00 0.00 178.16 176.74 3cxh h ASN 77 N 1.15 0.72 -0.51 -2.11 -0.73 -1.25 -0.31 115.58 112.55 3cxh h ASN 77 Ca 0.27 -0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 3cxh h ASN 77 Cb 0.17 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.55 3cxh h ASN 77 CO -0.03 0.66 0.28 -0.08 -0.37 0.00 0.00 177.43 177.89 3cxh h GLU 78 N 0.74 0.71 0.27 6.67 4.81 -0.98 -2.46 114.58 124.34 3cxh h GLU 78 Ca 0.19 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3cxh h GLU 78 Cb 0.13 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3cxh h GLU 78 CO -0.02 0.56 -0.13 0.35 -0.73 0.00 0.00 179.01 179.03 3cxh h PHE 79 N 0.68 -0.34 -0.94 0.92 3.57 -1.06 -2.87 116.94 116.89 3cxh h PHE 79 Ca 0.18 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.94 3cxh h PHE 79 Cb 0.06 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 3cxh h PHE 79 CO -0.02 -0.08 0.71 -0.07 -2.23 0.00 0.00 178.31 176.63 3cxh h LEU 80 N -0.57 0.00 -2.83 0.59 3.38 -0.92 -0.18 115.31 114.78 3cxh h LEU 80 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3cxh h LEU 80 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3cxh h LEU 80 CO 0.06 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.37 3cxh n TYR 81 N -4.13 0.97 -3.55 1.13 4.02 -0.94 -3.81 117.16 110.86 3cxh n TYR 81 Ca 0.20 -0.52 -0.19 0.00 -0.01 0.00 0.00 57.90 57.37 3cxh n TYR 81 Cb 1.04 -0.04 -0.01 0.00 -0.02 0.00 0.00 39.34 40.31 3cxh n TYR 81 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3cxh s SER 82 N -1.00 5.81 0.25 7.72 1.04 -0.09 -4.96 113.70 122.47 3cxh s SER 82 Ca 0.45 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.59 3cxh s SER 82 Cb 0.25 -1.16 0.48 0.00 0.10 0.00 0.00 66.02 65.68 3cxh s SER 82 CO 0.29 -0.42 1.73 0.11 0.98 0.00 0.00 173.24 175.94 3cxh h LYS 83 N 0.97 0.45 -0.52 4.02 1.57 -1.92 -1.01 116.57 120.13 3cxh h LYS 83 Ca -0.45 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3cxh h LYS 83 Cb 1.26 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3cxh h LYS 83 CO 0.54 0.30 0.28 0.00 -0.57 0.00 0.00 179.45 179.99 3cxh h ALA 84 N 1.56 1.51 0.00 3.86 0.00 -1.95 -3.06 119.26 121.18 3cxh h ALA 84 Ca 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3cxh h ALA 84 Cb 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3cxh h ALA 84 CO -0.40 0.40 -0.45 0.41 0.00 0.00 0.00 179.25 179.21 3cxh n GLY 85 N -1.28 -1.38 0.36 0.00 0.00 -0.43 -4.14 105.19 98.33 3cxh n GLY 85 Ca 0.04 -0.26 0.19 0.00 0.00 0.00 0.00 46.02 45.99 3cxh n GLY 85 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3cxh h ARG 86 N 0.00 0.00 0.45 1.61 0.11 -1.32 0.33 114.38 115.57 3cxh h ARG 86 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 3cxh h ARG 86 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 3cxh h ARG 86 CO 0.00 0.00 -0.22 1.49 0.10 0.00 0.00 179.97 181.34 3cxh h GLU 87 N 0.00 -0.59 -0.04 0.08 4.81 -1.80 -2.42 114.58 114.63 3cxh h GLU 87 Ca 0.12 0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 3cxh h GLU 87 Cb 0.81 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 3cxh h GLU 87 CO -0.00 -0.29 -0.56 1.49 -0.73 0.00 0.00 179.01 178.92 3cxh h GLU 88 N -0.88 0.12 -0.19 1.92 4.81 -1.46 -3.20 114.58 115.70 3cxh h GLU 88 Ca -0.06 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3cxh h GLU 88 Cb 0.57 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3cxh h GLU 88 CO 0.10 0.65 0.07 1.25 -0.73 0.00 0.00 179.01 180.35 3cxh h LEU 89 N 0.10 0.08 -1.62 1.64 7.12 -0.39 -0.61 115.31 121.62 3cxh h LEU 89 Ca -0.00 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.04 3cxh h LEU 89 Cb 1.02 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.14 3cxh h LEU 89 CO 0.08 0.07 0.27 -0.33 -0.13 0.00 0.00 178.44 178.40 3cxh h GLU 90 N 0.16 0.50 0.09 1.25 5.08 -1.43 -0.16 114.58 120.07 3cxh h GLU 90 Ca 0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3cxh h GLU 90 Cb 0.05 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3cxh h GLU 90 CO -0.08 0.33 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.12 3cxh h ARG 91 N 0.51 -0.11 -0.03 2.33 2.43 -1.43 -3.36 114.38 114.73 3cxh h ARG 91 Ca 0.15 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 3cxh h ARG 91 Cb -0.01 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3cxh h ARG 91 CO -0.03 0.42 -0.56 -0.39 -1.51 0.00 0.00 179.97 177.90 3cxh h VAL 92 N -0.86 1.39 0.00 0.20 -1.51 -1.05 -3.39 116.25 111.02 3cxh h VAL 92 Ca -0.01 -1.90 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 3cxh h VAL 92 Cb 0.59 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 3cxh h VAL 92 CO 0.02 0.55 0.00 -3.20 -1.23 0.00 0.00 177.57 173.71 3cxh n ASN 93 N -3.89 0.00 0.00 4.19 5.15 -0.08 -5.10 115.26 115.54 3cxh n ASN 93 Ca -0.02 0.00 0.15 0.00 -0.60 0.00 0.00 54.58 54.11 3cxh n ASN 93 Cb 0.57 0.00 0.89 0.00 -0.53 0.00 0.00 39.78 40.71 3cxh n ASN 93 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18